CID 21852

Iodinated glycerol

Structural Information

Molecular Formula

C₆H₁₁IO₃

SMILES

CC(C1OCC(O1)CO)I

InChI

InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3

InChIKey

LTINPJMVDKPJJI-UHFFFAOYSA-N

Compound name

[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 21
References: 11804
Patents: 257.97528 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.98256	140.7
[M+Na]+	280.96450	142.4
[M+NH4]+	276.00910	143.8
[M+K]+	296.93844	143.9
[M-H]-	256.96800	136.7
[M+Na-2H]-	278.94995	130.1
[M]+	257.97473	138.5
[M]-	257.97583	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe